2-(3-aminocyclohexyl)oxyacetonitrile

C8H14N2O — CID 79464980

IUPAC2-(3-aminocyclohexyl)oxyacetonitrile
SMILESN#CCOC1CCCC(N)C1
InChIInChI=1S/C8H14N2O/c9-4-5-11-8-3-1-2-7(10)6-8/h7-8H,1-3,5-6,10H2
InChIKeyOOTNLBFGFZRWIG-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.80
Rot. Bonds2

About 2-(3-aminocyclohexyl)oxyacetonitrile

2-(3-aminocyclohexyl)oxyacetonitrile (PubChem CID 79464980) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)oxyacetonitrile.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)oxyacetonitrile
PubChem CID79464980
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-aminocyclohexyl)oxyacetonitrile
SMILESN#CCOC1CCCC(N)C1
InChIInChI=1S/C8H14N2O/c9-4-5-11-8-3-1-2-7(10)6-8/h7-8H,1-3,5-6,10H2
InChIKeyOOTNLBFGFZRWIG-UHFFFAOYSA-N
XLogP0.80
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine
CID 156885950
4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
CID 106938707
2-[(1S,3S)-3-aminocyclohexyl]acetonitrile
CID 125469996
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
CID 112587357
3-(2-propoxyethoxy)cyclohexan-1-amine
CID 79618913
3-(2-piperidin-1-ylethoxy)cyclohexan-1-amine
CID 79465695
3-cyclohexyloxycyclohexan-1-amine
CID 79464649
3-(3-aminocyclohexyl)propanenitrile
CID 138595443
3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
CID 79465915
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)oxyacetonitrile?
The IUPAC name of 2-(3-aminocyclohexyl)oxyacetonitrile (CID 79464980) is 2-(3-aminocyclohexyl)oxyacetonitrile.
What is the SMILES notation for 2-(3-aminocyclohexyl)oxyacetonitrile?
The canonical SMILES for 2-(3-aminocyclohexyl)oxyacetonitrile is N#CCOC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)oxyacetonitrile?
The InChIKey is OOTNLBFGFZRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-4-5-11-8-3-1-2-7(10)6-8/h7-8H,1-3,5-6,10H2.
What are the key properties of 2-(3-aminocyclohexyl)oxyacetonitrile?
2-(3-aminocyclohexyl)oxyacetonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)oxyacetonitrile is sourced from PubChem (CID 79464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).